N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide

C16H30N4O2 — CID 27493450

IUPACN,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide
SMILESC/C(CC(C)C)=N\NC(=O)CCC(=O)N/N=C(\C)CC(C)C
InChIInChI=1S/C16H30N4O2/c1-11(2)9-13(5)17-19-15(21)7-8-16(22)20-18-14(6)10-12(3)4/h11-12H,7-10H2,1-6H3,(H,19,21)(H,20,22)/b17-13+,18-14+
InChIKeyKBEAKEFDQDEHRA-HBKJEHTGSA-N
MW310.44 g/mol
LogP2.84
Rot. Bonds9

About N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide

N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide (PubChem CID 27493450) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide
PubChem CID27493450
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC NameN,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide
SMILESC/C(CC(C)C)=N\NC(=O)CCC(=O)N/N=C(\C)CC(C)C
InChIInChI=1S/C16H30N4O2/c1-11(2)9-13(5)17-19-15(21)7-8-16(22)20-18-14(6)10-12(3)4/h11-12H,7-10H2,1-6H3,(H,19,21)(H,20,22)/b17-13+,18-14+
InChIKeyKBEAKEFDQDEHRA-HBKJEHTGSA-N
XLogP2.84
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'1,N'4-Bis(propan-2-ylidene)butanedihydrazide
CID 4274992
N'~1~,N'~4~-bis[(2Z)-4-methylpentan-2-ylidene]butanedihydrazide
CID 6112774
N'~1~,N'~4~-bis[(1Z)-3-methylcyclohexylidene]butanedihydrazide
CID 17386501
N,N'-bis(4-methylpentan-2-ylideneamino)hexanediamide
CID 4547357
N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]hexanediamide
CID 6146500
3-methyl-N-[(E)-3-methylbutan-2-ylideneamino]butanamide
CID 9624006
N-[(Z)-4-methylpentan-2-ylideneamino]propanamide
CID 22613525
2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide
CID 22613547
N-(4-methylpentan-2-ylideneamino)propanamide
CID 54143465
2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide
CID 54221156
2-methyl-N-[(Z)-4-methylpentan-2-ylideneamino]propanamide
CID 87260324
N-(2,4-dimethylpentan-3-ylideneamino)-2-methylpropanamide
CID 145758226

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide (CID 27493450) is N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide is C/C(CC(C)C)=N\NC(=O)CCC(=O)N/N=C(\C)CC(C)C.
What is the InChIKey of N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide?
The InChIKey is KBEAKEFDQDEHRA-HBKJEHTGSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-11(2)9-13(5)17-19-15(21)7-8-16(22)20-18-14(6)10-12(3)4/h11-12H,7-10H2,1-6H3,(H,19,21)(H,20,22)/b17-13+,18-14+.
What are the key properties of N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide?
N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide has a molecular weight of 310.44 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide is sourced from PubChem (CID 27493450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).